SMILES for Isoform APP695 of Amyloid-beta precursor protein [K595N,M596L]

56 SMILES Strings for Isoform APP695 of Amyloid-beta precursor protein [K595N,M596L]

Compound Name

SMILES String

FC(F)(F)COc1cccc2nc(N[C@H]3[C@H]4CC[C@@H]3CN(C4)c3ccnc(c3)C(F)(F)F)nn12 |r,TLB:13:14:20.21.19:16.17,THB:22:20:14:16.17|

Cc1cc(sn1)N1C[C@@H]2CC[C@H](C1)[C@H]2Nc1nc2cccc(OCC(F)(F)F)n2n1 |r,TLB:14:13:6.7.12:10.9,3:6:13:10.9|

Cc1ccc(OCC(F)(F)F)n2nc(N[C@H]3[C@H]4CC[C@@H]3CN(C4)c3ccnc(c3)C(F)(F)F)nc12 |r,TLB:14:15:21.22.20:18.17,THB:23:21:15:18.17|

BDBM476531

Cc1cc(ncn1)N1C[C@@H]2CC[C@H](C1)[C@H]2Nc1nc2c(C)ccc(OCC(F)(F)F)n2n1 |r,TLB:3:7:14:11.10,15:14:7.8.13:11.10|

BDBM476532

Cc1ccc(OCC(F)(F)F)n2nc(N[C@H]3[C@H]4CC[C@@H]3CN(C4)c3ccnc(Cl)c3)nc12 |r,TLB:14:15:21.22.20:18.17,THB:23:21:15:18.17|

BDBM476533

COc1cc(ccn1)N1C[C@@H]2CC[C@H](C1)[C@H]2Nc1nc2c(C)ccc(OCC(F)(F)F)n2n1 |r,TLB:16:15:8.9.14:12.11,THB:4:8:15:12.11|

BDBM476534

Cc1ccc(OCC(F)(F)F)n2nc(N[C@H]3[C@H]4CC[C@@H]3CN(C4)c3cnnc(Cl)c3)nc12 |r,TLB:14:15:21.22.20:18.17,THB:23:21:15:18.17|

BDBM476535

CC(C)(O)c1ccc(OCC(F)(F)F)n2nc(N[C@H]3[C@H]4CC[C@@H]3CN(C4)c3ccnc(c3)C(F)(F)F)nc12 |r,TLB:17:18:24.25.23:21.20,THB:26:24:18:21.20|

BDBM476536

Cc1cc(ncn1)N1C[C@@H]2CC[C@H](C1)[C@H]2Nc1nc2c(ccc(OCC(F)(F)F)n2n1)C(C)(C)O |r,TLB:15:14:7.8.13:11.10,3:7:14:11.10|

BDBM476537

Cc1ncn(n1)-c1ccc(Nc2nc3c(ccc(OCC(F)(F)F)n3n2)C(C)(C)O)cc1OC(F)F

BDBM476538

CC(C)c1ccc(OCC(F)(F)F)n2nc(N[C@H]3[C@H]4CC[C@@H]3CN(C4)c3ccnc(c3)C(F)(F)F)nc12 |r,TLB:16:17:23.24.22:20.19,THB:25:23:17:20.19|

BDBM476539

CC(C)c1ccc(OCC(F)(F)F)n2nc(N[C@H]3[C@H]4CC[C@@H]3CN(C4)c3cc(C)ncn3)nc12 |r,TLB:16:17:23.24.22:19.20,THB:25:23:17:19.20|

BDBM476540

CC(C)c1ccc(OCC(F)(F)F)n2nc(N[C@H]3[C@H]4CC[C@@H]3CN(C4)c3ccnc(Cl)c3)nc12 |r,TLB:16:17:23.24.22:19.20,THB:25:23:17:19.20|

BDBM476541

COc1cc(ccn1)N1C[C@@H]2CC[C@H](C1)[C@H]2Nc1nc2c(ccc(OCC(F)(F)F)n2n1)C(C)C |r,TLB:4:8:15:11.12,16:15:8.9.14:11.12|

BDBM476542

CC(C)c1ccc(OCC(F)(F)F)n2nc(N[C@H]3[C@H]4CC[C@@H]3CN(C4)c3cnnc(Cl)c3)nc12 |r,TLB:16:17:23.24.22:19.20,THB:25:23:17:19.20|

BDBM476543

CC(C)c1ccc(OCC(F)(F)F)n2nc(Nc3ccc(c(OC(F)F)c3)-n3cnc(C)n3)nc12

BDBM476544

COc1cc(cnn1)N1C[C@@H]2CC[C@H](C1)[C@H]2Nc1nc2c(ccc(OCC(F)(F)F)n2n1)C(C)C |r,TLB:4:8:15:11.12,16:15:8.9.14:11.12|

BDBM476545

CC(C)c1ccc(OCC(F)(F)F)n2nc(N[C@H]3[C@H]4CC[C@@H]3CN(C4)c3nc(C)no3)nc12 |r,TLB:16:17:23.24.22:19.20,THB:25:23:17:19.20|

BDBM476546

COc1cc(Nc2nc3c(ccc(OCC(F)(F)F)n3n2)C(C)C)ccc1-n1cnc(C)n1

BDBM476547

CC(C)c1ccc(OCC(F)(F)F)n2nc(Nc3ccc(c(c3)C#N)-n3cnc(C)c3)nc12

BDBM476548

COc1cc(Nc2nc3c(ccc(OCC(F)(F)F)n3n2)C(C)C)ccc1-c1ccnc(C)c1

BDBM476549

C[C@H](Oc1ccc(c2nc(N[C@H]3[C@H]4CC[C@@H]3CN(C4)c3cc(C)ncn3)nn12)C(C)(C)O)C(F)(F)F |r,TLB:10:11:17.18.16:14.13,THB:19:17:11:14.13|

BDBM476550

C[C@H](Oc1ccc(c2nc(N[C@H]3[C@H]4CC[C@@H]3CN(C4)c3cnnc(Cl)c3)nn12)C(C)(C)O)C(F)(F)F |r,TLB:10:11:17.18.16:13.14,THB:19:17:11:13.14|

BDBM476551

COc1cc(Nc2nc3c(ccc(O[C@@H](C)C(F)(F)F)n3n2)C(C)(C)O)ccc1-n1cnc(C)n1 |r|

BDBM476552

COc1cc(Nc2nc3c(ccc(O[C@@H](C)C(F)(F)F)n3n2)C(C)(C)O)ccc1-n1cnc(C)c1 |r|

BDBM476553

COc1cc(Nc2nc3c(ccc(O[C@@H](C)C(F)(F)F)n3n2)C(C)(C)O)ccc1-n1cnc(Cl)n1 |r|

BDBM476554

C[C@H](Oc1ccc(c2nc(Nc3ccc(c(c3)C#N)-n3cnc(C)c3)nn12)C(C)(C)O)C(F)(F)F |r|

BDBM476555

COc1cc(ccn1)N1C[C@@H]2CC[C@H](C1)C2Nc1nc2c(ccc(O[C@@H](C)C(F)(F)F)n2n1)C(C)C |r,TLB:16:15:14.8.9:11.12,4:8:15:11.12|

BDBM476556

COc1cc(cnn1)N1C[C@@H]2CC[C@H](C1)[C@H]2Nc1nc2c(ccc(O[C@@H](C)C(F)(F)F)n2n1)C(C)C |r,TLB:4:8:15:11.12,16:15:8.9.14:11.12|

BDBM476557

CC(C)c1ccc(O[C@@H](C)C(F)(F)F)n2nc(N[C@H]3[C@H]4CC[C@@H]3CN(C4)c3cnnc(Cl)c3)nc12 |r,TLB:17:18:24.25.23:20.21,THB:26:24:18:20.21|

BDBM476558

CC(C)c1ccc(O[C@@H](C)C(F)(F)F)n2nc(N[C@H]3[C@H]4CC[C@@H]3CN(C4)c3nc(C)no3)nc12 |r,TLB:17:18:24.25.23:20.21,THB:26:24:18:20.21|

BDBM476559

CC(C)c1ccc(O[C@@H](C)C(F)(F)F)n2nc(N[C@H]3[C@H]4CC[C@@H]3CN(C4)c3nnc(C)o3)nc12 |r,TLB:17:18:24.25.23:20.21,THB:26:24:18:20.21|

BDBM476561

COc1cc(Nc2nc3c(ccc(O[C@@H](C)C(F)(F)F)n3n2)C(F)(F)F)ccc1-n1cnc(C)n1 |r|

BDBM476562

COc1cc(Nc2nc3c(ccc(O[C@@H](C)C(F)(F)F)n3n2)C(F)(F)F)ccc1-n1cnc(Cl)n1 |r|

BDBM50502710

Cc1cn(cn1)C12CC(C1)(C2)Nc1nc2[C@H](CCCCn2n1)c1cccc(Cl)c1 |r|

BDBM50502719

Cc1cn(cn1)C12CC(C1)(C2)Nc1nc2[C@@H](CCCCn2n1)c1cccc(Cl)c1 |r|

BDBM50502711

Cc1cn(cn1)C12CC(C1)(C2)Nc1nc2[C@H](CCCCn2n1)c1ccc(F)cc1 |r|

BDBM50502720

Cc1cn(cn1)C12CC(C1)(C2)Nc1nc2[C@@H](CCCCn2n1)c1ccc(F)cc1 |r|

BDBM50502712

Cc1cn(cn1)C12CC(C1)(C2)Nc1nc2[C@H](CCCCn2n1)c1ccc(Cl)cc1 |r|

BDBM50502713

Cc1cn(cn1)C12CC(C1)(C2)Nc1nc2[C@@H](CCCCn2n1)c1ccc(Cl)cc1 |r|

BDBM50502714

Cc1cn(cn1)C12CCC(CC1)(CC2)Nc1nc2[C@H](CCCCn2n1)c1cc(F)cc(Cl)c1 |r|

BDBM50502709

Cc1cn(cn1)C12CCC(CC1)(CC2)Nc1nc2[C@@H](CCCCn2n1)c1cc(F)cc(Cl)c1 |r|

BDBM50502721

Cc1cn(cn1)C12CC(C1)(C2)Nc1nc2[C@H](CCCCn2n1)c1cc(F)cc(Cl)c1 |r|

BDBM50502715

Cc1cn(cn1)C12CC(C1)(C2)Nc1nc2[C@@H](CCCCn2n1)c1cc(F)cc(Cl)c1 |r|

BDBM50502716

Cc1cn(cn1)C12CCC(CC1)(CC2)Nc1nc2[C@H](CCCCn2n1)c1ccc(F)c(F)c1 |r|

BDBM50502718

Cc1cn(cn1)C12CCC(CC1)(CC2)Nc1nc2[C@@H](CCCCn2n1)c1ccc(F)c(F)c1 |r|

BDBM50502717

Cc1cn(cn1)C12CC(C1)(C2)Nc1nc2[C@H](CCCCn2n1)c1ccc(F)c(F)c1 |r|

BDBM50502722

Cc1cn(cn1)C12CC(C1)(C2)Nc1nc2[C@@H](CCCCn2n1)c1ccc(F)c(F)c1 |r|

BDBM571400

Cc1cn(cn1)C12CC(C1)(C2)Nc1nc2[C@H](CCCCn2n1)c1ccccc1F |r|

BDBM571401

Cc1cn(cn1)C12CC(C1)(C2)Nc1nc2[C@@H](CCCCn2n1)c1ccccc1F |r|

BDBM571402

Cc1cn(cn1)C12CCC(CC1)(CC2)Nc1nc2[C@H](CCCCn2n1)c1ccccc1F |r|

BDBM571403

Cc1cn(cn1)C12CCC(CC1)(CC2)Nc1nc2[C@@H](CCCCn2n1)c1ccccc1F |r|

BDBM571404

Cc1cn(cn1)C12CC(C1)(C2)Nc1nc2[C@H](CCCCn2n1)c1ccc(F)c(F)c1F |r|

BDBM571405

Cc1cn(cn1)C12CC(C1)(C2)Nc1nc2[C@@H](CCCCn2n1)c1ccc(F)c(F)c1F |r|

BDBM571406

Cc1cn(cn1)C12CCC(CC1)(CC2)Nc1nc2[C@H](CCCCn2n1)c1ccc(F)c(F)c1F |r|

BDBM571407

Cc1cn(cn1)C12CCC(CC1)(CC2)Nc1nc2[C@@H](CCCCn2n1)c1ccc(F)c(F)c1F |r|